USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 636 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 HIS : no HD1:sc=1.52e-07 K(o=-5,f=-6.1) USER MOD Set 1.2: A 84 HIS : no HD1:sc= -4.95! C(o=-5!,f=-8.7!) USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.173 X(o=-1.6,f=-1.3) USER MOD Set 2.2: A 21 ASN : amide:sc= -1.4 K(o=-1.6,f=-2.2!) USER MOD Single : A 8 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.3) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 123:sc= 0.378 USER MOD Single : A 17 ASN : amide:sc= -0.0745 K(o=-0.075,f=0.63) USER MOD Single : A 19 LYS NZ :NH3+ 178:sc=-0.00706 (180deg=-0.0108) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0256 USER MOD Single : A 24 ASN : amide:sc= -0.934 K(o=-0.93,f=-0.19) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -1.27 X(o=-1.3,f=-0.95) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 25:sc= 0.0917 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 36:sc= 0.00328 USER MOD Single : A 83 ASN : amide:sc=-0.00565 K(o=-0.0056,f=-1.5) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.35! K(o=-1.3!,f=-0.0094) USER MOD Single : A 91 LYS NZ :NH3+ -151:sc= -0.617 (180deg=-0.668) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -162:sc= -0.117 (180deg=-0.805) USER MOD ----------------------------------------------------------------- ATOM 17 N ILE A 7 3.831 -5.687 5.867 1.00 0.00 N ATOM 18 CA ILE A 7 3.314 -4.348 5.608 1.00 0.00 C ATOM 19 C ILE A 7 2.157 -4.047 6.555 1.00 0.00 C ATOM 20 O ILE A 7 1.441 -4.962 6.964 1.00 0.00 O ATOM 21 CB ILE A 7 2.783 -4.242 4.156 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.700 -4.986 3.181 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.632 -2.786 3.729 1.00 0.00 C ATOM 24 CD1 ILE A 7 2.945 -5.695 2.069 1.00 0.00 C ATOM 0 HA ILE A 7 4.127 -3.638 5.759 1.00 0.00 H new ATOM 0 HB ILE A 7 1.799 -4.710 4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.402 -4.278 2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.290 -5.717 3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.258 -2.744 2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.929 -2.283 4.393 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.601 -2.289 3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.654 -6.202 1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.263 -6.427 2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.376 -4.965 1.493 1.00 0.00 H new ATOM 36 N GLN A 8 1.975 -2.782 6.926 1.00 0.00 N ATOM 37 CA GLN A 8 0.843 -2.399 7.746 1.00 0.00 C ATOM 38 C GLN A 8 0.048 -1.306 7.031 1.00 0.00 C ATOM 39 O GLN A 8 0.516 -0.175 6.900 1.00 0.00 O ATOM 40 CB GLN A 8 1.316 -1.917 9.132 1.00 0.00 C ATOM 41 CG GLN A 8 2.087 -2.973 9.947 1.00 0.00 C ATOM 42 CD GLN A 8 3.459 -3.297 9.386 1.00 0.00 C ATOM 43 OE1 GLN A 8 4.122 -2.445 8.797 1.00 0.00 O ATOM 44 NE2 GLN A 8 3.895 -4.532 9.569 1.00 0.00 N ATOM 0 H GLN A 8 2.596 -2.014 6.671 1.00 0.00 H new ATOM 0 HA GLN A 8 0.199 -3.265 7.899 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.953 -1.042 9.001 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.447 -1.596 9.707 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.198 -2.618 10.971 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.497 -3.888 9.989 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.315 -5.210 10.063 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.812 -4.807 9.216 1.00 0.00 H new ATOM 53 N VAL A 9 -1.137 -1.655 6.537 1.00 0.00 N ATOM 54 CA VAL A 9 -1.976 -0.701 5.811 1.00 0.00 C ATOM 55 C VAL A 9 -2.938 0.030 6.736 1.00 0.00 C ATOM 56 O VAL A 9 -3.380 -0.511 7.749 1.00 0.00 O ATOM 57 CB VAL A 9 -2.798 -1.377 4.686 1.00 0.00 C ATOM 58 CG1 VAL A 9 -1.928 -1.643 3.472 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.425 -2.669 5.186 1.00 0.00 C ATOM 0 H VAL A 9 -1.539 -2.588 6.625 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.283 0.014 5.367 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.597 -0.697 4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.525 -2.118 2.694 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.528 -0.701 3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.105 -2.301 3.751 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.999 -3.130 4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.640 -3.353 5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.086 -2.452 6.025 1.00 0.00 H new ATOM 69 N TYR A 10 -3.266 1.252 6.344 1.00 0.00 N ATOM 70 CA TYR A 10 -4.115 2.150 7.120 1.00 0.00 C ATOM 71 C TYR A 10 -4.818 3.114 6.177 1.00 0.00 C ATOM 72 O TYR A 10 -4.672 3.028 4.956 1.00 0.00 O ATOM 73 CB TYR A 10 -3.299 2.992 8.113 1.00 0.00 C ATOM 74 CG TYR A 10 -2.724 2.243 9.306 1.00 0.00 C ATOM 75 CD1 TYR A 10 -1.405 2.447 9.695 1.00 0.00 C ATOM 76 CD2 TYR A 10 -3.492 1.343 10.043 1.00 0.00 C ATOM 77 CE1 TYR A 10 -0.865 1.779 10.778 1.00 0.00 C ATOM 78 CE2 TYR A 10 -2.957 0.668 11.130 1.00 0.00 C ATOM 79 CZ TYR A 10 -1.643 0.890 11.491 1.00 0.00 C ATOM 80 OH TYR A 10 -1.106 0.225 12.569 1.00 0.00 O ATOM 0 H TYR A 10 -2.946 1.656 5.464 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.824 1.532 7.671 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.477 3.460 7.572 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.934 3.796 8.485 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.790 3.141 9.140 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.520 1.168 9.763 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.162 1.952 11.065 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.564 -0.027 11.691 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.785 -0.363 12.962 1.00 0.00 H new ATOM 90 N SER A 11 -5.577 4.029 6.749 1.00 0.00 N ATOM 91 CA SER A 11 -6.122 5.145 5.995 1.00 0.00 C ATOM 92 C SER A 11 -5.921 6.449 6.754 1.00 0.00 C ATOM 93 O SER A 11 -5.711 6.445 7.968 1.00 0.00 O ATOM 94 CB SER A 11 -7.609 4.938 5.734 1.00 0.00 C ATOM 95 OG SER A 11 -7.841 3.739 5.018 1.00 0.00 O ATOM 0 H SER A 11 -5.832 4.022 7.737 1.00 0.00 H new ATOM 0 HA SER A 11 -5.595 5.198 5.043 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.147 4.909 6.682 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.003 5.783 5.170 1.00 0.00 H new ATOM 0 HG SER A 11 -8.457 3.169 5.525 1.00 0.00 H new ATOM 101 N ARG A 12 -5.986 7.562 6.029 1.00 0.00 N ATOM 102 CA ARG A 12 -5.839 8.887 6.632 1.00 0.00 C ATOM 103 C ARG A 12 -7.185 9.383 7.161 1.00 0.00 C ATOM 104 O ARG A 12 -7.249 10.247 8.033 1.00 0.00 O ATOM 105 CB ARG A 12 -5.299 9.886 5.599 1.00 0.00 C ATOM 106 CG ARG A 12 -4.261 10.857 6.156 1.00 0.00 C ATOM 107 CD ARG A 12 -4.809 11.669 7.318 1.00 0.00 C ATOM 108 NE ARG A 12 -3.803 12.537 7.918 1.00 0.00 N ATOM 109 CZ ARG A 12 -3.771 12.850 9.212 1.00 0.00 C ATOM 110 NH1 ARG A 12 -4.660 12.326 10.050 1.00 0.00 N ATOM 111 NH2 ARG A 12 -2.843 13.680 9.670 1.00 0.00 N ATOM 0 H ARG A 12 -6.140 7.575 5.021 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.134 8.809 7.460 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.856 9.333 4.771 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.133 10.457 5.191 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.383 10.301 6.484 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.934 11.531 5.365 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.646 12.275 6.971 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.199 10.992 8.078 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.082 12.927 7.311 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.370 11.682 9.703 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.632 12.568 11.040 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.155 14.078 9.031 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.818 13.920 10.661 1.00 0.00 H new ATOM 125 N HIS A 13 -8.255 8.821 6.633 1.00 0.00 N ATOM 126 CA HIS A 13 -9.598 9.267 6.960 1.00 0.00 C ATOM 127 C HIS A 13 -10.452 8.069 7.349 1.00 0.00 C ATOM 128 O HIS A 13 -10.123 6.935 6.996 1.00 0.00 O ATOM 129 CB HIS A 13 -10.228 10.001 5.764 1.00 0.00 C ATOM 130 CG HIS A 13 -9.562 11.301 5.415 1.00 0.00 C ATOM 131 ND1 HIS A 13 -9.368 12.282 6.356 1.00 0.00 N ATOM 132 CD2 HIS A 13 -9.076 11.731 4.222 1.00 0.00 C ATOM 133 CE1 HIS A 13 -8.771 13.280 5.724 1.00 0.00 C ATOM 134 NE2 HIS A 13 -8.574 12.990 4.430 1.00 0.00 N ATOM 0 H HIS A 13 -8.220 8.047 5.969 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.546 9.960 7.799 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.197 9.346 4.894 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.279 10.192 5.983 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -9.083 11.186 3.289 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.480 14.209 6.191 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -8.134 13.591 3.733 1.00 0.00 H new ATOM 142 N PRO A 14 -11.547 8.299 8.091 1.00 0.00 N ATOM 143 CA PRO A 14 -12.450 7.226 8.527 1.00 0.00 C ATOM 144 C PRO A 14 -13.212 6.615 7.353 1.00 0.00 C ATOM 145 O PRO A 14 -13.714 7.335 6.485 1.00 0.00 O ATOM 146 CB PRO A 14 -13.426 7.925 9.484 1.00 0.00 C ATOM 147 CG PRO A 14 -12.817 9.265 9.771 1.00 0.00 C ATOM 148 CD PRO A 14 -12.005 9.616 8.558 1.00 0.00 C ATOM 0 HA PRO A 14 -11.906 6.403 8.990 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.412 8.031 9.031 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.557 7.349 10.400 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.588 10.013 9.955 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.191 9.227 10.662 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -12.602 10.129 7.804 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.170 10.272 8.804 1.00 0.00 H new ATOM 156 N ALA A 15 -13.273 5.288 7.331 1.00 0.00 N ATOM 157 CA ALA A 15 -13.969 4.542 6.283 1.00 0.00 C ATOM 158 C ALA A 15 -15.444 4.931 6.187 1.00 0.00 C ATOM 159 O ALA A 15 -16.248 4.499 7.015 1.00 0.00 O ATOM 160 CB ALA A 15 -13.870 3.049 6.574 1.00 0.00 C ATOM 0 H ALA A 15 -12.841 4.696 8.040 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.492 4.784 5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.388 2.491 5.794 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.822 2.752 6.597 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.329 2.835 7.539 1.00 0.00 H new ATOM 166 N GLU A 16 -15.812 5.748 5.201 1.00 0.00 N ATOM 167 CA GLU A 16 -17.224 6.047 4.979 1.00 0.00 C ATOM 168 C GLU A 16 -17.632 5.549 3.590 1.00 0.00 C ATOM 169 O GLU A 16 -17.227 6.126 2.579 1.00 0.00 O ATOM 170 CB GLU A 16 -17.506 7.557 5.111 1.00 0.00 C ATOM 171 CG GLU A 16 -18.771 7.899 5.886 1.00 0.00 C ATOM 172 CD GLU A 16 -20.009 7.231 5.322 1.00 0.00 C ATOM 173 OE1 GLU A 16 -20.636 7.812 4.411 1.00 0.00 O ATOM 174 OE2 GLU A 16 -20.361 6.129 5.789 1.00 0.00 O ATOM 0 H GLU A 16 -15.167 6.206 4.556 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.813 5.536 5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.656 8.031 5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.579 7.988 4.113 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.645 7.600 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.913 8.980 5.880 1.00 0.00 H new ATOM 181 N ASN A 17 -18.393 4.451 3.551 1.00 0.00 N ATOM 182 CA ASN A 17 -18.898 3.876 2.304 1.00 0.00 C ATOM 183 C ASN A 17 -19.483 4.956 1.378 1.00 0.00 C ATOM 184 O ASN A 17 -20.496 5.578 1.697 1.00 0.00 O ATOM 185 CB ASN A 17 -19.948 2.792 2.639 1.00 0.00 C ATOM 186 CG ASN A 17 -20.733 2.308 1.430 1.00 0.00 C ATOM 187 OD1 ASN A 17 -20.223 2.258 0.315 1.00 0.00 O ATOM 188 ND2 ASN A 17 -21.984 1.941 1.648 1.00 0.00 N ATOM 0 H ASN A 17 -18.676 3.936 4.385 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.070 3.419 1.762 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.445 1.941 3.099 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.644 3.189 3.378 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.558 1.603 0.876 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.375 1.996 2.588 1.00 0.00 H new ATOM 195 N GLY A 18 -18.819 5.181 0.240 1.00 0.00 N ATOM 196 CA GLY A 18 -19.264 6.192 -0.715 1.00 0.00 C ATOM 197 C GLY A 18 -18.286 7.345 -0.883 1.00 0.00 C ATOM 198 O GLY A 18 -18.373 8.093 -1.857 1.00 0.00 O ATOM 0 H GLY A 18 -17.976 4.678 -0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.424 5.719 -1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.226 6.588 -0.390 1.00 0.00 H new ATOM 202 N LYS A 19 -17.361 7.511 0.053 1.00 0.00 N ATOM 203 CA LYS A 19 -16.414 8.629 -0.019 1.00 0.00 C ATOM 204 C LYS A 19 -15.144 8.205 -0.733 1.00 0.00 C ATOM 205 O LYS A 19 -14.796 7.026 -0.745 1.00 0.00 O ATOM 206 CB LYS A 19 -16.006 9.130 1.372 1.00 0.00 C ATOM 207 CG LYS A 19 -17.129 9.338 2.383 1.00 0.00 C ATOM 208 CD LYS A 19 -18.011 10.557 2.117 1.00 0.00 C ATOM 209 CE LYS A 19 -18.863 10.432 0.866 1.00 0.00 C ATOM 210 NZ LYS A 19 -19.954 9.434 1.026 1.00 0.00 N ATOM 0 H LYS A 19 -17.242 6.900 0.861 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.924 9.426 -0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.295 8.419 1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.478 10.076 1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.758 8.448 2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.692 9.433 3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.663 10.717 2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.378 11.440 2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.294 11.403 0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.231 10.145 0.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.530 9.407 0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.543 8.494 1.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.554 9.702 1.832 1.00 0.00 H new ATOM 224 N SER A 20 -14.466 9.165 -1.336 1.00 0.00 N ATOM 225 CA SER A 20 -13.141 8.927 -1.865 1.00 0.00 C ATOM 226 C SER A 20 -12.077 9.480 -0.920 1.00 0.00 C ATOM 227 O SER A 20 -12.223 10.573 -0.360 1.00 0.00 O ATOM 228 CB SER A 20 -13.007 9.501 -3.273 1.00 0.00 C ATOM 229 OG SER A 20 -13.910 10.578 -3.466 1.00 0.00 O ATOM 0 H SER A 20 -14.813 10.115 -1.470 1.00 0.00 H new ATOM 0 HA SER A 20 -12.984 7.851 -1.939 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.985 9.844 -3.435 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.202 8.721 -4.009 1.00 0.00 H new ATOM 0 HG SER A 20 -13.807 10.933 -4.374 1.00 0.00 H new ATOM 235 N ASN A 21 -11.009 8.714 -0.761 1.00 0.00 N ATOM 236 CA ASN A 21 -9.952 8.993 0.210 1.00 0.00 C ATOM 237 C ASN A 21 -8.695 8.277 -0.276 1.00 0.00 C ATOM 238 O ASN A 21 -8.677 7.754 -1.392 1.00 0.00 O ATOM 239 CB ASN A 21 -10.302 8.474 1.618 1.00 0.00 C ATOM 240 CG ASN A 21 -11.705 8.808 2.111 1.00 0.00 C ATOM 241 OD1 ASN A 21 -12.680 8.161 1.732 1.00 0.00 O ATOM 242 ND2 ASN A 21 -11.810 9.767 3.012 1.00 0.00 N ATOM 0 H ASN A 21 -10.846 7.869 -1.308 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.815 10.072 0.284 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.181 7.391 1.627 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.580 8.882 2.326 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.720 9.990 3.416 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.981 10.285 3.305 1.00 0.00 H new ATOM 249 N PHE A 22 -7.664 8.212 0.555 1.00 0.00 N ATOM 250 CA PHE A 22 -6.401 7.602 0.145 1.00 0.00 C ATOM 251 C PHE A 22 -6.070 6.353 0.957 1.00 0.00 C ATOM 252 O PHE A 22 -6.137 6.370 2.189 1.00 0.00 O ATOM 253 CB PHE A 22 -5.260 8.616 0.271 1.00 0.00 C ATOM 254 CG PHE A 22 -5.190 9.579 -0.878 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.389 9.131 -2.173 1.00 0.00 C ATOM 256 CD2 PHE A 22 -4.915 10.921 -0.670 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.318 10.002 -3.242 1.00 0.00 C ATOM 258 CE2 PHE A 22 -4.843 11.798 -1.736 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.046 11.338 -3.023 1.00 0.00 C ATOM 0 H PHE A 22 -7.673 8.570 1.510 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.514 7.298 -0.896 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.382 9.176 1.198 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.314 8.080 0.345 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.602 8.087 -2.349 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.755 11.285 0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.475 9.639 -4.247 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.628 12.842 -1.563 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.992 12.022 -3.857 1.00 0.00 H new ATOM 269 N LEU A 23 -5.707 5.270 0.258 1.00 0.00 N ATOM 270 CA LEU A 23 -5.248 4.043 0.926 1.00 0.00 C ATOM 271 C LEU A 23 -3.753 4.139 1.188 1.00 0.00 C ATOM 272 O LEU A 23 -2.967 4.387 0.275 1.00 0.00 O ATOM 273 CB LEU A 23 -5.573 2.784 0.096 1.00 0.00 C ATOM 274 CG LEU A 23 -4.869 1.470 0.526 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.125 1.135 1.992 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.329 0.312 -0.351 1.00 0.00 C ATOM 0 H LEU A 23 -5.721 5.217 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.779 3.949 1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.650 2.621 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.315 2.985 -0.944 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.797 1.624 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.613 0.208 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.749 1.942 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.196 1.015 2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.827 -0.603 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.407 0.187 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.082 0.523 -1.392 1.00 0.00 H new ATOM 288 N ASN A 24 -3.369 3.961 2.440 1.00 0.00 N ATOM 289 CA ASN A 24 -1.984 4.133 2.844 1.00 0.00 C ATOM 290 C ASN A 24 -1.330 2.789 3.141 1.00 0.00 C ATOM 291 O ASN A 24 -1.776 2.050 4.018 1.00 0.00 O ATOM 292 CB ASN A 24 -1.901 5.044 4.075 1.00 0.00 C ATOM 293 CG ASN A 24 -2.447 6.439 3.822 1.00 0.00 C ATOM 294 OD1 ASN A 24 -3.005 7.069 4.718 1.00 0.00 O ATOM 295 ND2 ASN A 24 -2.284 6.934 2.602 1.00 0.00 N ATOM 0 H ASN A 24 -3.999 3.696 3.197 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.445 4.599 2.019 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.454 4.587 4.896 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.862 5.120 4.394 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.627 7.869 2.381 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.815 6.380 1.885 1.00 0.00 H new ATOM 302 N CYS A 25 -0.279 2.472 2.396 1.00 0.00 N ATOM 303 CA CYS A 25 0.498 1.258 2.612 1.00 0.00 C ATOM 304 C CYS A 25 1.907 1.637 3.087 1.00 0.00 C ATOM 305 O CYS A 25 2.677 2.238 2.337 1.00 0.00 O ATOM 306 CB CYS A 25 0.571 0.459 1.303 1.00 0.00 C ATOM 307 SG CYS A 25 1.821 -0.859 1.298 1.00 0.00 S ATOM 0 H CYS A 25 0.059 3.049 1.625 1.00 0.00 H new ATOM 0 HA CYS A 25 0.021 0.641 3.374 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.406 0.017 1.106 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.781 1.146 0.483 1.00 0.00 H new ATOM 312 N TYR A 26 2.226 1.311 4.335 1.00 0.00 N ATOM 313 CA TYR A 26 3.509 1.716 4.938 1.00 0.00 C ATOM 314 C TYR A 26 4.525 0.574 4.878 1.00 0.00 C ATOM 315 O TYR A 26 4.328 -0.483 5.478 1.00 0.00 O ATOM 316 CB TYR A 26 3.277 2.246 6.385 1.00 0.00 C ATOM 317 CG TYR A 26 4.416 2.076 7.375 1.00 0.00 C ATOM 318 CD1 TYR A 26 5.534 2.906 7.360 1.00 0.00 C ATOM 319 CD2 TYR A 26 4.343 1.099 8.362 1.00 0.00 C ATOM 320 CE1 TYR A 26 6.542 2.758 8.297 1.00 0.00 C ATOM 321 CE2 TYR A 26 5.345 0.946 9.294 1.00 0.00 C ATOM 322 CZ TYR A 26 6.443 1.775 9.261 1.00 0.00 C ATOM 323 OH TYR A 26 7.439 1.627 10.201 1.00 0.00 O ATOM 0 H TYR A 26 1.622 0.770 4.954 1.00 0.00 H new ATOM 0 HA TYR A 26 3.936 2.536 4.360 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.039 3.308 6.322 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.398 1.746 6.792 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.616 3.676 6.607 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.483 0.447 8.398 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.403 3.409 8.274 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.269 0.177 10.049 1.00 0.00 H new ATOM 0 HH TYR A 26 7.212 0.890 10.805 1.00 0.00 H new ATOM 333 N VAL A 27 5.605 0.802 4.123 1.00 0.00 N ATOM 334 CA VAL A 27 6.640 -0.200 3.869 1.00 0.00 C ATOM 335 C VAL A 27 7.985 0.336 4.378 1.00 0.00 C ATOM 336 O VAL A 27 8.523 1.281 3.807 1.00 0.00 O ATOM 337 CB VAL A 27 6.753 -0.476 2.342 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.722 -1.615 2.053 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.389 -0.785 1.739 1.00 0.00 C ATOM 0 H VAL A 27 5.785 1.697 3.668 1.00 0.00 H new ATOM 0 HA VAL A 27 6.379 -1.125 4.383 1.00 0.00 H new ATOM 0 HB VAL A 27 7.142 0.430 1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.777 -1.782 0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.711 -1.356 2.431 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.372 -2.524 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.498 -0.974 0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.969 -1.667 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.723 0.064 1.891 1.00 0.00 H new ATOM 349 N SER A 28 8.528 -0.226 5.453 1.00 0.00 N ATOM 350 CA SER A 28 9.745 0.335 6.038 1.00 0.00 C ATOM 351 C SER A 28 10.834 -0.721 6.251 1.00 0.00 C ATOM 352 O SER A 28 10.548 -1.908 6.412 1.00 0.00 O ATOM 353 CB SER A 28 9.420 1.032 7.362 1.00 0.00 C ATOM 354 OG SER A 28 10.510 1.825 7.804 1.00 0.00 O ATOM 0 H SER A 28 8.158 -1.049 5.929 1.00 0.00 H new ATOM 0 HA SER A 28 10.138 1.062 5.327 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.537 1.659 7.239 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.179 0.286 8.119 1.00 0.00 H new ATOM 0 HG SER A 28 10.276 2.260 8.650 1.00 0.00 H new ATOM 360 N GLY A 29 12.087 -0.260 6.237 1.00 0.00 N ATOM 361 CA GLY A 29 13.235 -1.137 6.432 1.00 0.00 C ATOM 362 C GLY A 29 13.850 -1.566 5.115 1.00 0.00 C ATOM 363 O GLY A 29 14.920 -2.171 5.079 1.00 0.00 O ATOM 0 H GLY A 29 12.329 0.720 6.092 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.986 -0.624 7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.926 -2.019 6.993 1.00 0.00 H new ATOM 367 N PHE A 30 13.157 -1.243 4.037 1.00 0.00 N ATOM 368 CA PHE A 30 13.574 -1.627 2.699 1.00 0.00 C ATOM 369 C PHE A 30 14.181 -0.449 1.953 1.00 0.00 C ATOM 370 O PHE A 30 13.884 0.706 2.262 1.00 0.00 O ATOM 371 CB PHE A 30 12.370 -2.160 1.932 1.00 0.00 C ATOM 372 CG PHE A 30 11.702 -3.335 2.620 1.00 0.00 C ATOM 373 CD1 PHE A 30 12.125 -4.635 2.371 1.00 0.00 C ATOM 374 CD2 PHE A 30 10.662 -3.138 3.522 1.00 0.00 C ATOM 375 CE1 PHE A 30 11.521 -5.712 3.000 1.00 0.00 C ATOM 376 CE2 PHE A 30 10.058 -4.212 4.158 1.00 0.00 C ATOM 377 CZ PHE A 30 10.487 -5.497 3.894 1.00 0.00 C ATOM 0 H PHE A 30 12.289 -0.707 4.064 1.00 0.00 H new ATOM 0 HA PHE A 30 14.336 -2.402 2.781 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.642 -1.358 1.806 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.687 -2.463 0.934 1.00 0.00 H new ATOM 0 HD1 PHE A 30 12.935 -4.808 1.678 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.320 -2.135 3.730 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.857 -6.717 2.793 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.254 -4.043 4.859 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.015 -6.335 4.385 1.00 0.00 H new ATOM 387 N HIS A 31 15.032 -0.753 0.976 1.00 0.00 N ATOM 388 CA HIS A 31 15.641 0.272 0.131 1.00 0.00 C ATOM 389 C HIS A 31 14.680 0.638 -0.999 1.00 0.00 C ATOM 390 O HIS A 31 14.466 -0.164 -1.905 1.00 0.00 O ATOM 391 CB HIS A 31 16.966 -0.211 -0.483 1.00 0.00 C ATOM 392 CG HIS A 31 17.851 -1.000 0.437 1.00 0.00 C ATOM 393 ND1 HIS A 31 17.742 -2.368 0.519 1.00 0.00 N ATOM 394 CD2 HIS A 31 18.842 -0.590 1.268 1.00 0.00 C ATOM 395 CE1 HIS A 31 18.655 -2.754 1.391 1.00 0.00 C ATOM 396 NE2 HIS A 31 19.347 -1.712 1.872 1.00 0.00 N ATOM 0 H HIS A 31 15.317 -1.706 0.749 1.00 0.00 H new ATOM 0 HA HIS A 31 15.847 1.140 0.758 1.00 0.00 H new ATOM 0 HB2 HIS A 31 16.741 -0.823 -1.356 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.521 0.658 -0.837 1.00 0.00 H new ATOM 0 HD2 HIS A 31 19.170 0.427 1.424 1.00 0.00 H new ATOM 0 HE1 HIS A 31 18.823 -3.781 1.680 1.00 0.00 H new ATOM 0 HE2 HIS A 31 20.103 -1.747 2.555 1.00 0.00 H new ATOM 404 N PRO A 32 14.085 1.841 -0.940 1.00 0.00 N ATOM 405 CA PRO A 32 13.019 2.288 -1.856 1.00 0.00 C ATOM 406 C PRO A 32 13.184 1.874 -3.324 1.00 0.00 C ATOM 407 O PRO A 32 12.207 1.491 -3.974 1.00 0.00 O ATOM 408 CB PRO A 32 13.084 3.809 -1.715 1.00 0.00 C ATOM 409 CG PRO A 32 13.478 4.026 -0.295 1.00 0.00 C ATOM 410 CD PRO A 32 14.389 2.876 0.069 1.00 0.00 C ATOM 0 HA PRO A 32 12.067 1.828 -1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.812 4.242 -2.401 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.122 4.271 -1.937 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.989 4.981 -0.174 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.602 4.049 0.353 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.438 3.172 0.033 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.193 2.517 1.079 1.00 0.00 H new ATOM 418 N SER A 33 14.405 1.922 -3.841 1.00 0.00 N ATOM 419 CA SER A 33 14.634 1.669 -5.260 1.00 0.00 C ATOM 420 C SER A 33 14.540 0.179 -5.606 1.00 0.00 C ATOM 421 O SER A 33 14.125 -0.171 -6.710 1.00 0.00 O ATOM 422 CB SER A 33 15.997 2.231 -5.692 1.00 0.00 C ATOM 423 OG SER A 33 16.245 1.999 -7.072 1.00 0.00 O ATOM 0 H SER A 33 15.247 2.132 -3.305 1.00 0.00 H new ATOM 0 HA SER A 33 13.844 2.181 -5.810 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.030 3.302 -5.491 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.786 1.771 -5.097 1.00 0.00 H new ATOM 0 HG SER A 33 17.119 2.370 -7.314 1.00 0.00 H new ATOM 429 N ASP A 34 14.912 -0.693 -4.673 1.00 0.00 N ATOM 430 CA ASP A 34 15.037 -2.121 -4.970 1.00 0.00 C ATOM 431 C ASP A 34 13.796 -2.914 -4.581 1.00 0.00 C ATOM 432 O ASP A 34 13.840 -4.146 -4.535 1.00 0.00 O ATOM 433 CB ASP A 34 16.248 -2.717 -4.236 1.00 0.00 C ATOM 434 CG ASP A 34 17.566 -2.089 -4.632 1.00 0.00 C ATOM 435 OD1 ASP A 34 17.976 -1.096 -3.990 1.00 0.00 O ATOM 436 OD2 ASP A 34 18.216 -2.600 -5.570 1.00 0.00 O ATOM 0 H ASP A 34 15.132 -0.440 -3.710 1.00 0.00 H new ATOM 0 HA ASP A 34 15.166 -2.198 -6.050 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.106 -2.597 -3.162 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.291 -3.788 -4.434 1.00 0.00 H new ATOM 441 N ILE A 35 12.691 -2.240 -4.298 1.00 0.00 N ATOM 442 CA ILE A 35 11.492 -2.950 -3.870 1.00 0.00 C ATOM 443 C ILE A 35 10.327 -2.685 -4.819 1.00 0.00 C ATOM 444 O ILE A 35 10.390 -1.789 -5.662 1.00 0.00 O ATOM 445 CB ILE A 35 11.073 -2.571 -2.424 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.085 -1.391 -2.416 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.293 -2.258 -1.561 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.581 -1.043 -1.031 1.00 0.00 C ATOM 0 H ILE A 35 12.598 -1.226 -4.354 1.00 0.00 H new ATOM 0 HA ILE A 35 11.739 -4.011 -3.889 1.00 0.00 H new ATOM 0 HB ILE A 35 10.566 -3.435 -1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.570 -0.516 -2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.235 -1.633 -3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 35 11.969 -1.996 -0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.942 -3.133 -1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.841 -1.421 -1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.889 -0.203 -1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.068 -1.904 -0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.423 -0.770 -0.395 1.00 0.00 H new ATOM 460 N GLU A 36 9.270 -3.477 -4.675 1.00 0.00 N ATOM 461 CA GLU A 36 8.079 -3.331 -5.496 1.00 0.00 C ATOM 462 C GLU A 36 6.821 -3.431 -4.634 1.00 0.00 C ATOM 463 O GLU A 36 6.542 -4.478 -4.052 1.00 0.00 O ATOM 464 CB GLU A 36 8.057 -4.394 -6.597 1.00 0.00 C ATOM 465 CG GLU A 36 9.181 -4.225 -7.626 1.00 0.00 C ATOM 466 CD GLU A 36 9.167 -5.285 -8.707 1.00 0.00 C ATOM 467 OE1 GLU A 36 8.732 -4.976 -9.836 1.00 0.00 O ATOM 468 OE2 GLU A 36 9.606 -6.425 -8.443 1.00 0.00 O ATOM 0 H GLU A 36 9.217 -4.232 -3.991 1.00 0.00 H new ATOM 0 HA GLU A 36 8.100 -2.347 -5.964 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.137 -5.381 -6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.096 -4.356 -7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.095 -3.242 -8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.142 -4.252 -7.112 1.00 0.00 H new ATOM 475 N VAL A 37 6.089 -2.330 -4.539 1.00 0.00 N ATOM 476 CA VAL A 37 4.860 -2.275 -3.746 1.00 0.00 C ATOM 477 C VAL A 37 3.701 -1.742 -4.596 1.00 0.00 C ATOM 478 O VAL A 37 3.860 -0.757 -5.320 1.00 0.00 O ATOM 479 CB VAL A 37 5.045 -1.418 -2.449 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.308 -0.579 -2.529 1.00 0.00 C ATOM 481 CG2 VAL A 37 3.841 -0.524 -2.179 1.00 0.00 C ATOM 0 H VAL A 37 6.324 -1.453 -5.004 1.00 0.00 H new ATOM 0 HA VAL A 37 4.621 -3.290 -3.429 1.00 0.00 H new ATOM 0 HB VAL A 37 5.135 -2.117 -1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.414 0.007 -1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.173 -1.233 -2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.245 0.092 -3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.012 0.053 -1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.697 0.156 -3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.951 -1.140 -2.055 1.00 0.00 H new ATOM 491 N ASP A 38 2.546 -2.407 -4.514 1.00 0.00 N ATOM 492 CA ASP A 38 1.360 -1.998 -5.264 1.00 0.00 C ATOM 493 C ASP A 38 0.150 -1.980 -4.327 1.00 0.00 C ATOM 494 O ASP A 38 0.159 -2.629 -3.279 1.00 0.00 O ATOM 495 CB ASP A 38 1.047 -2.965 -6.438 1.00 0.00 C ATOM 496 CG ASP A 38 2.179 -3.161 -7.421 1.00 0.00 C ATOM 497 OD1 ASP A 38 2.617 -4.323 -7.587 1.00 0.00 O ATOM 498 OD2 ASP A 38 2.603 -2.181 -8.065 1.00 0.00 O ATOM 0 H ASP A 38 2.409 -3.234 -3.933 1.00 0.00 H new ATOM 0 HA ASP A 38 1.561 -1.008 -5.674 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.771 -3.936 -6.026 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.178 -2.589 -6.978 1.00 0.00 H new ATOM 503 N LEU A 39 -0.894 -1.258 -4.717 1.00 0.00 N ATOM 504 CA LEU A 39 -2.141 -1.241 -3.953 1.00 0.00 C ATOM 505 C LEU A 39 -3.193 -2.085 -4.680 1.00 0.00 C ATOM 506 O LEU A 39 -3.424 -1.901 -5.879 1.00 0.00 O ATOM 507 CB LEU A 39 -2.640 0.197 -3.728 1.00 0.00 C ATOM 508 CG LEU A 39 -2.064 0.926 -2.493 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.579 1.210 -2.642 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.811 2.222 -2.237 1.00 0.00 C ATOM 0 H LEU A 39 -0.905 -0.677 -5.555 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.958 -1.672 -2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.405 0.785 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.726 0.174 -3.639 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.196 0.260 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.216 1.723 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.040 0.271 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.415 1.840 -3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.389 2.719 -1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.717 2.874 -3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.864 2.006 -2.058 1.00 0.00 H new ATOM 522 N LEU A 40 -3.804 -3.031 -3.963 1.00 0.00 N ATOM 523 CA LEU A 40 -4.678 -4.033 -4.576 1.00 0.00 C ATOM 524 C LEU A 40 -6.093 -4.036 -4.001 1.00 0.00 C ATOM 525 O LEU A 40 -6.371 -3.433 -2.965 1.00 0.00 O ATOM 526 CB LEU A 40 -4.127 -5.447 -4.357 1.00 0.00 C ATOM 527 CG LEU A 40 -2.694 -5.732 -4.814 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.506 -7.235 -4.947 1.00 0.00 C ATOM 529 CD2 LEU A 40 -2.357 -5.050 -6.133 1.00 0.00 C ATOM 0 H LEU A 40 -3.708 -3.124 -2.952 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.712 -3.763 -5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.190 -5.670 -3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.787 -6.147 -4.869 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.016 -5.326 -4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.487 -7.447 -5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.685 -7.711 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.210 -7.626 -5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.330 -5.284 -6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.034 -5.406 -6.910 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.466 -3.971 -6.023 1.00 0.00 H new ATOM 541 N LYS A 41 -6.961 -4.768 -4.697 1.00 0.00 N ATOM 542 CA LYS A 41 -8.291 -5.126 -4.224 1.00 0.00 C ATOM 543 C LYS A 41 -8.404 -6.625 -4.312 1.00 0.00 C ATOM 544 O LYS A 41 -8.494 -7.143 -5.418 1.00 0.00 O ATOM 545 CB LYS A 41 -9.393 -4.538 -5.121 1.00 0.00 C ATOM 546 CG LYS A 41 -8.990 -3.224 -5.768 1.00 0.00 C ATOM 547 CD LYS A 41 -10.012 -2.661 -6.819 1.00 0.00 C ATOM 548 CE LYS A 41 -11.507 -2.591 -6.397 1.00 0.00 C ATOM 549 NZ LYS A 41 -12.391 -2.536 -7.590 1.00 0.00 N ATOM 0 H LYS A 41 -6.752 -5.135 -5.625 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.418 -4.741 -3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.644 -5.259 -5.899 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.294 -4.384 -4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.849 -2.479 -4.985 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.025 -3.358 -6.257 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.692 -1.656 -7.095 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.944 -3.275 -7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.760 -3.462 -5.792 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.673 -1.711 -5.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.384 -2.490 -7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.162 -1.692 -8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.246 -3.388 -8.169 1.00 0.00 H new ATOM 563 N ASN A 42 -8.412 -7.323 -3.175 1.00 0.00 N ATOM 564 CA ASN A 42 -8.469 -8.794 -3.170 1.00 0.00 C ATOM 565 C ASN A 42 -7.618 -9.399 -4.293 1.00 0.00 C ATOM 566 O ASN A 42 -8.079 -10.246 -5.060 1.00 0.00 O ATOM 567 CB ASN A 42 -9.935 -9.292 -3.238 1.00 0.00 C ATOM 568 CG ASN A 42 -10.807 -8.508 -4.212 1.00 0.00 C ATOM 569 OD1 ASN A 42 -11.041 -8.935 -5.343 1.00 0.00 O ATOM 570 ND2 ASN A 42 -11.256 -7.329 -3.782 1.00 0.00 N ATOM 0 H ASN A 42 -8.380 -6.900 -2.247 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.043 -9.137 -2.227 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.939 -10.343 -3.527 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.375 -9.233 -2.243 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.818 -6.742 -4.398 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.038 -7.014 -2.837 1.00 0.00 H new ATOM 577 N GLY A 43 -6.362 -8.961 -4.364 1.00 0.00 N ATOM 578 CA GLY A 43 -5.452 -9.457 -5.385 1.00 0.00 C ATOM 579 C GLY A 43 -5.676 -8.867 -6.772 1.00 0.00 C ATOM 580 O GLY A 43 -5.326 -9.495 -7.771 1.00 0.00 O ATOM 0 H GLY A 43 -5.958 -8.270 -3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.429 -9.246 -5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.550 -10.541 -5.445 1.00 0.00 H new ATOM 584 N GLU A 44 -6.241 -7.672 -6.848 1.00 0.00 N ATOM 585 CA GLU A 44 -6.497 -7.030 -8.134 1.00 0.00 C ATOM 586 C GLU A 44 -5.857 -5.645 -8.148 1.00 0.00 C ATOM 587 O GLU A 44 -6.161 -4.808 -7.301 1.00 0.00 O ATOM 588 CB GLU A 44 -8.009 -6.937 -8.397 1.00 0.00 C ATOM 589 CG GLU A 44 -8.378 -6.349 -9.756 1.00 0.00 C ATOM 590 CD GLU A 44 -7.819 -7.156 -10.908 1.00 0.00 C ATOM 591 OE1 GLU A 44 -6.693 -6.859 -11.359 1.00 0.00 O ATOM 592 OE2 GLU A 44 -8.509 -8.081 -11.377 1.00 0.00 O ATOM 0 H GLU A 44 -6.532 -7.125 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.056 -7.630 -8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.441 -7.934 -8.317 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.465 -6.328 -7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.463 -6.300 -9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.006 -5.326 -9.819 1.00 0.00 H new ATOM 599 N ARG A 45 -4.934 -5.434 -9.083 1.00 0.00 N ATOM 600 CA ARG A 45 -4.218 -4.165 -9.205 1.00 0.00 C ATOM 601 C ARG A 45 -5.207 -3.017 -9.421 1.00 0.00 C ATOM 602 O ARG A 45 -5.945 -2.994 -10.408 1.00 0.00 O ATOM 603 CB ARG A 45 -3.221 -4.257 -10.385 1.00 0.00 C ATOM 604 CG ARG A 45 -1.945 -3.438 -10.214 1.00 0.00 C ATOM 605 CD ARG A 45 -0.987 -3.575 -11.410 1.00 0.00 C ATOM 606 NE ARG A 45 -1.515 -2.978 -12.637 1.00 0.00 N ATOM 607 CZ ARG A 45 -1.331 -3.498 -13.850 1.00 0.00 C ATOM 608 NH1 ARG A 45 -0.725 -4.671 -13.991 1.00 0.00 N ATOM 609 NH2 ARG A 45 -1.765 -2.840 -14.918 1.00 0.00 N ATOM 0 H ARG A 45 -4.662 -6.133 -9.774 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.667 -3.966 -8.286 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.948 -5.302 -10.530 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.726 -3.930 -11.294 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.207 -2.388 -10.082 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.433 -3.756 -9.306 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.036 -3.103 -11.163 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.782 -4.631 -11.585 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.054 -2.116 -12.560 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.398 -5.178 -13.169 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.587 -5.065 -14.922 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.236 -1.942 -14.807 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.627 -3.232 -15.849 1.00 0.00 H new ATOM 623 N ILE A 46 -5.221 -2.081 -8.465 1.00 0.00 N ATOM 624 CA ILE A 46 -6.122 -0.933 -8.499 1.00 0.00 C ATOM 625 C ILE A 46 -5.863 -0.061 -9.722 1.00 0.00 C ATOM 626 O ILE A 46 -6.734 0.032 -10.578 1.00 0.00 O ATOM 627 CB ILE A 46 -6.002 -0.101 -7.198 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.374 -0.983 -6.000 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.891 1.144 -7.252 1.00 0.00 C ATOM 630 CD1 ILE A 46 -6.228 -0.321 -4.654 1.00 0.00 C ATOM 0 H ILE A 46 -4.608 -2.102 -7.650 1.00 0.00 H new ATOM 0 HA ILE A 46 -7.141 -1.313 -8.571 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.973 0.241 -7.091 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.407 -1.312 -6.117 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.751 -1.877 -6.018 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.785 1.707 -6.325 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.591 1.769 -8.093 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.931 0.843 -7.377 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.514 -1.023 -3.870 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.191 -0.017 -4.508 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.873 0.556 -4.608 1.00 0.00 H new ATOM 642 N GLU A 47 -4.720 0.656 -9.708 1.00 0.00 N ATOM 643 CA GLU A 47 -4.088 1.274 -10.906 1.00 0.00 C ATOM 644 C GLU A 47 -3.782 2.739 -10.656 1.00 0.00 C ATOM 645 O GLU A 47 -2.766 3.251 -11.123 1.00 0.00 O ATOM 646 CB GLU A 47 -4.930 1.183 -12.187 1.00 0.00 C ATOM 647 CG GLU A 47 -4.923 -0.195 -12.841 1.00 0.00 C ATOM 648 CD GLU A 47 -3.896 -0.296 -13.941 1.00 0.00 C ATOM 649 OE1 GLU A 47 -4.225 0.038 -15.099 1.00 0.00 O ATOM 650 OE2 GLU A 47 -2.754 -0.702 -13.657 1.00 0.00 O ATOM 0 H GLU A 47 -4.196 0.828 -8.850 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.179 0.695 -11.066 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.959 1.457 -11.953 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.561 1.916 -12.905 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.720 -0.953 -12.085 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.912 -0.408 -13.248 1.00 0.00 H new ATOM 657 N LYS A 48 -4.652 3.421 -9.917 1.00 0.00 N ATOM 658 CA LYS A 48 -4.507 4.859 -9.701 1.00 0.00 C ATOM 659 C LYS A 48 -3.498 5.137 -8.594 1.00 0.00 C ATOM 660 O LYS A 48 -3.805 5.843 -7.636 1.00 0.00 O ATOM 661 CB LYS A 48 -5.858 5.496 -9.321 1.00 0.00 C ATOM 662 CG LYS A 48 -7.047 5.091 -10.207 1.00 0.00 C ATOM 663 CD LYS A 48 -6.683 5.108 -11.686 1.00 0.00 C ATOM 664 CE LYS A 48 -6.191 6.471 -12.137 1.00 0.00 C ATOM 665 NZ LYS A 48 -5.653 6.439 -13.520 1.00 0.00 N ATOM 0 H LYS A 48 -5.462 3.004 -9.459 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.153 5.298 -10.634 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.088 5.231 -8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.753 6.580 -9.356 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.385 4.093 -9.927 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.880 5.771 -10.030 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.911 4.363 -11.877 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.554 4.824 -12.277 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.010 7.188 -12.083 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.416 6.821 -11.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.328 7.390 -13.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.854 5.774 -13.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.399 6.130 -14.176 1.00 0.00 H new ATOM 679 N VAL A 49 -2.293 4.611 -8.732 1.00 0.00 N ATOM 680 CA VAL A 49 -1.295 4.747 -7.687 1.00 0.00 C ATOM 681 C VAL A 49 -0.014 5.325 -8.285 1.00 0.00 C ATOM 682 O VAL A 49 0.456 4.876 -9.333 1.00 0.00 O ATOM 683 CB VAL A 49 -1.025 3.396 -6.954 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.372 2.862 -7.212 1.00 0.00 C ATOM 685 CG2 VAL A 49 -1.248 3.546 -5.462 1.00 0.00 C ATOM 0 H VAL A 49 -1.984 4.089 -9.552 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.677 5.432 -6.930 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.733 2.673 -7.360 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.506 1.921 -6.679 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.506 2.696 -8.281 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.108 3.585 -6.862 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.055 2.594 -4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.571 4.304 -5.067 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.279 3.849 -5.277 1.00 0.00 H new ATOM 695 N GLU A 50 0.511 6.346 -7.635 1.00 0.00 N ATOM 696 CA GLU A 50 1.730 7.006 -8.097 1.00 0.00 C ATOM 697 C GLU A 50 2.541 7.535 -6.933 1.00 0.00 C ATOM 698 O GLU A 50 2.097 8.435 -6.222 1.00 0.00 O ATOM 699 CB GLU A 50 1.408 8.165 -9.047 1.00 0.00 C ATOM 700 CG GLU A 50 1.180 7.740 -10.487 1.00 0.00 C ATOM 701 CD GLU A 50 2.407 7.100 -11.105 1.00 0.00 C ATOM 702 OE1 GLU A 50 3.538 7.404 -10.662 1.00 0.00 O ATOM 703 OE2 GLU A 50 2.248 6.286 -12.040 1.00 0.00 O ATOM 0 H GLU A 50 0.115 6.742 -6.782 1.00 0.00 H new ATOM 0 HA GLU A 50 2.314 6.256 -8.631 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.518 8.680 -8.686 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.227 8.884 -9.017 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.348 7.037 -10.527 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.891 8.609 -11.078 1.00 0.00 H new ATOM 921 N LEU A 64 8.128 4.967 3.635 1.00 0.00 N ATOM 922 CA LEU A 64 7.647 4.716 2.276 1.00 0.00 C ATOM 923 C LEU A 64 6.136 4.567 2.302 1.00 0.00 C ATOM 924 O LEU A 64 5.601 3.758 3.065 1.00 0.00 O ATOM 925 CB LEU A 64 8.252 3.415 1.734 1.00 0.00 C ATOM 926 CG LEU A 64 9.614 3.506 1.039 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.226 2.111 0.935 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.447 4.126 -0.346 1.00 0.00 C ATOM 0 HA LEU A 64 7.940 5.550 1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.344 2.715 2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.543 2.982 1.029 1.00 0.00 H new ATOM 0 HG LEU A 64 10.282 4.140 1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.195 2.175 0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.355 1.695 1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.565 1.466 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.419 4.189 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.778 3.507 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.025 5.126 -0.248 1.00 0.00 H new ATOM 940 N LEU A 65 5.450 5.354 1.486 1.00 0.00 N ATOM 941 CA LEU A 65 3.998 5.315 1.428 1.00 0.00 C ATOM 942 C LEU A 65 3.510 5.661 0.023 1.00 0.00 C ATOM 943 O LEU A 65 4.044 6.558 -0.615 1.00 0.00 O ATOM 944 CB LEU A 65 3.437 6.322 2.435 1.00 0.00 C ATOM 945 CG LEU A 65 1.922 6.470 2.460 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.287 5.198 2.974 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.514 7.657 3.318 1.00 0.00 C ATOM 0 H LEU A 65 5.879 6.029 0.853 1.00 0.00 H new ATOM 0 HA LEU A 65 3.653 4.310 1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.770 6.033 3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.874 7.298 2.224 1.00 0.00 H new ATOM 0 HG LEU A 65 1.571 6.651 1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.203 5.313 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.555 4.368 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.644 4.995 3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.428 7.746 3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.871 7.509 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.951 8.568 2.910 1.00 0.00 H new ATOM 959 N TYR A 66 2.480 4.965 -0.434 1.00 0.00 N ATOM 960 CA TYR A 66 1.911 5.198 -1.758 1.00 0.00 C ATOM 961 C TYR A 66 0.447 5.588 -1.595 1.00 0.00 C ATOM 962 O TYR A 66 -0.142 5.316 -0.548 1.00 0.00 O ATOM 963 CB TYR A 66 2.048 3.939 -2.640 1.00 0.00 C ATOM 964 CG TYR A 66 3.483 3.650 -3.063 1.00 0.00 C ATOM 965 CD1 TYR A 66 3.870 3.753 -4.396 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.453 3.280 -2.135 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.170 3.501 -4.790 1.00 0.00 C ATOM 968 CE2 TYR A 66 5.757 3.029 -2.526 1.00 0.00 C ATOM 969 CZ TYR A 66 6.107 3.138 -3.852 1.00 0.00 C ATOM 970 OH TYR A 66 7.401 2.884 -4.240 1.00 0.00 O ATOM 0 H TYR A 66 2.016 4.227 0.096 1.00 0.00 H new ATOM 0 HA TYR A 66 2.451 6.004 -2.254 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.657 3.079 -2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.432 4.060 -3.531 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.138 4.036 -5.138 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.184 3.187 -1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.449 3.589 -5.830 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.498 2.748 -1.792 1.00 0.00 H new ATOM 0 HH TYR A 66 7.936 2.641 -3.456 1.00 0.00 H new ATOM 980 N TYR A 67 -0.147 6.217 -2.606 1.00 0.00 N ATOM 981 CA TYR A 67 -1.518 6.692 -2.466 1.00 0.00 C ATOM 982 C TYR A 67 -2.360 6.411 -3.711 1.00 0.00 C ATOM 983 O TYR A 67 -1.912 6.629 -4.838 1.00 0.00 O ATOM 984 CB TYR A 67 -1.576 8.186 -2.093 1.00 0.00 C ATOM 985 CG TYR A 67 -0.488 9.074 -2.688 1.00 0.00 C ATOM 986 CD1 TYR A 67 0.592 9.489 -1.911 1.00 0.00 C ATOM 987 CD2 TYR A 67 -0.557 9.528 -4.002 1.00 0.00 C ATOM 988 CE1 TYR A 67 1.569 10.322 -2.427 1.00 0.00 C ATOM 989 CE2 TYR A 67 0.421 10.357 -4.525 1.00 0.00 C ATOM 990 CZ TYR A 67 1.479 10.752 -3.733 1.00 0.00 C ATOM 991 OH TYR A 67 2.447 11.585 -4.249 1.00 0.00 O ATOM 0 H TYR A 67 0.287 6.406 -3.509 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.952 6.125 -1.642 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.545 8.578 -2.402 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.530 8.270 -1.007 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.668 9.154 -0.887 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.387 9.229 -4.624 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.398 10.634 -1.809 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.356 10.693 -5.549 1.00 0.00 H new ATOM 0 HH TYR A 67 2.235 11.794 -5.183 1.00 0.00 H new ATOM 1001 N THR A 68 -3.574 5.902 -3.487 1.00 0.00 N ATOM 1002 CA THR A 68 -4.532 5.652 -4.561 1.00 0.00 C ATOM 1003 C THR A 68 -5.933 6.076 -4.105 1.00 0.00 C ATOM 1004 O THR A 68 -6.304 5.869 -2.942 1.00 0.00 O ATOM 1005 CB THR A 68 -4.546 4.158 -4.997 1.00 0.00 C ATOM 1006 OG1 THR A 68 -5.098 4.044 -6.309 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.364 3.279 -4.064 1.00 0.00 C ATOM 0 H THR A 68 -3.917 5.653 -2.559 1.00 0.00 H new ATOM 0 HA THR A 68 -4.225 6.241 -5.426 1.00 0.00 H new ATOM 0 HB THR A 68 -3.511 3.817 -4.969 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.980 4.891 -6.788 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.337 2.249 -4.418 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.946 3.328 -3.058 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.396 3.630 -4.045 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.674 6.726 -5.001 1.00 0.00 N ATOM 1016 CA GLU A 69 -8.057 7.122 -4.731 1.00 0.00 C ATOM 1017 C GLU A 69 -8.934 5.891 -4.499 1.00 0.00 C ATOM 1018 O GLU A 69 -8.927 4.965 -5.316 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.618 7.906 -5.927 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.810 8.800 -5.577 1.00 0.00 C ATOM 1021 CD GLU A 69 -9.449 9.944 -4.646 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -9.623 9.799 -3.419 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -9.008 11.003 -5.141 1.00 0.00 O ATOM 0 H GLU A 69 -6.338 6.991 -5.927 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.064 7.745 -3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.825 8.523 -6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.920 7.201 -6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.232 9.208 -6.496 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.586 8.193 -5.112 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.701 5.873 -3.411 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.582 4.743 -3.142 1.00 0.00 C ATOM 1032 C PHE A 70 -12.001 5.193 -2.835 1.00 0.00 C ATOM 1033 O PHE A 70 -12.235 6.349 -2.503 1.00 0.00 O ATOM 1034 CB PHE A 70 -10.035 3.885 -1.987 1.00 0.00 C ATOM 1035 CG PHE A 70 -10.131 4.472 -0.590 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -9.002 4.563 0.202 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -11.337 4.902 -0.062 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -9.079 5.069 1.491 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -11.414 5.413 1.215 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.287 5.494 1.993 1.00 0.00 C ATOM 0 H PHE A 70 -9.730 6.616 -2.713 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.613 4.137 -4.048 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.565 2.932 -1.992 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.987 3.668 -2.193 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.049 4.236 -0.187 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -12.233 4.836 -0.662 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.190 5.129 2.101 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -12.363 5.750 1.604 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.348 5.890 2.996 1.00 0.00 H new ATOM 1050 N THR A 71 -12.943 4.279 -3.002 1.00 0.00 N ATOM 1051 CA THR A 71 -14.283 4.439 -2.465 1.00 0.00 C ATOM 1052 C THR A 71 -14.768 3.105 -1.885 1.00 0.00 C ATOM 1053 O THR A 71 -15.060 2.176 -2.639 1.00 0.00 O ATOM 1054 CB THR A 71 -15.245 4.938 -3.566 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.719 6.141 -4.145 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.631 5.211 -3.005 1.00 0.00 C ATOM 0 H THR A 71 -12.800 3.408 -3.512 1.00 0.00 H new ATOM 0 HA THR A 71 -14.264 5.183 -1.668 1.00 0.00 H new ATOM 0 HB THR A 71 -15.332 4.160 -4.325 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.326 6.460 -4.845 1.00 0.00 H new ATOM 0 HG21 THR A 71 -17.285 5.561 -3.804 1.00 0.00 H new ATOM 0 HG22 THR A 71 -17.038 4.294 -2.578 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.566 5.974 -2.230 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.838 2.969 -0.536 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.163 1.687 0.085 1.00 0.00 C ATOM 1066 C PRO A 72 -16.606 1.289 -0.097 1.00 0.00 C ATOM 1067 O PRO A 72 -17.514 2.116 -0.080 1.00 0.00 O ATOM 1068 CB PRO A 72 -14.855 1.864 1.575 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.484 3.302 1.783 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.633 4.036 0.473 1.00 0.00 C ATOM 0 HA PRO A 72 -14.581 0.892 -0.381 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.721 1.599 2.181 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.039 1.208 1.880 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.124 3.751 2.542 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.459 3.379 2.144 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.478 4.724 0.499 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.746 4.628 0.248 1.00 0.00 H new ATOM 1078 N THR A 73 -16.773 -0.002 -0.266 1.00 0.00 N ATOM 1079 CA THR A 73 -18.063 -0.642 -0.405 1.00 0.00 C ATOM 1080 C THR A 73 -18.076 -1.857 0.506 1.00 0.00 C ATOM 1081 O THR A 73 -17.011 -2.339 0.891 1.00 0.00 O ATOM 1082 CB THR A 73 -18.292 -1.082 -1.865 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.222 -1.941 -2.282 1.00 0.00 O ATOM 1084 CG2 THR A 73 -18.367 0.124 -2.790 1.00 0.00 C ATOM 0 H THR A 73 -15.992 -0.657 -0.312 1.00 0.00 H new ATOM 0 HA THR A 73 -18.857 0.053 -0.134 1.00 0.00 H new ATOM 0 HB THR A 73 -19.239 -1.619 -1.919 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.370 -2.221 -3.209 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.529 -0.212 -3.814 1.00 0.00 H new ATOM 0 HG22 THR A 73 -19.193 0.766 -2.484 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.433 0.683 -2.735 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.255 -2.336 0.879 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.371 -3.541 1.697 1.00 0.00 C ATOM 1094 C GLU A 74 -18.788 -4.780 0.981 1.00 0.00 C ATOM 1095 O GLU A 74 -18.574 -5.825 1.597 1.00 0.00 O ATOM 1096 CB GLU A 74 -20.853 -3.749 2.101 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.166 -5.124 2.655 1.00 0.00 C ATOM 1098 CD GLU A 74 -20.483 -5.397 3.979 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -20.069 -6.555 4.207 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -20.351 -4.458 4.793 1.00 0.00 O ATOM 0 H GLU A 74 -20.147 -1.910 0.629 1.00 0.00 H new ATOM 0 HA GLU A 74 -18.778 -3.409 2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.122 -3.001 2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.483 -3.570 1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.244 -5.222 2.781 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -20.860 -5.880 1.932 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.465 -4.649 -0.302 1.00 0.00 N ATOM 1108 CA LYS A 75 -18.065 -5.808 -1.089 1.00 0.00 C ATOM 1109 C LYS A 75 -16.567 -5.864 -1.441 1.00 0.00 C ATOM 1110 O LYS A 75 -16.055 -6.953 -1.703 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.888 -5.882 -2.388 1.00 0.00 C ATOM 1112 CG LYS A 75 -20.402 -6.070 -2.213 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.815 -7.543 -2.137 1.00 0.00 C ATOM 1114 CE LYS A 75 -20.176 -8.289 -0.972 1.00 0.00 C ATOM 1115 NZ LYS A 75 -20.692 -9.677 -0.846 1.00 0.00 N ATOM 0 H LYS A 75 -18.472 -3.766 -0.812 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.263 -6.666 -0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.718 -4.967 -2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -18.506 -6.706 -2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.724 -5.560 -1.305 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.921 -5.595 -3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.900 -7.605 -2.048 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -20.543 -8.038 -3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.095 -8.316 -1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -20.367 -7.746 -0.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.230 -10.147 -0.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -21.720 -9.652 -0.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -20.487 -10.204 -1.719 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.848 -4.740 -1.479 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.474 -4.790 -1.964 1.00 0.00 C ATOM 1131 C ASP A 76 -13.448 -4.667 -0.827 1.00 0.00 C ATOM 1132 O ASP A 76 -13.597 -3.851 0.079 1.00 0.00 O ATOM 1133 CB ASP A 76 -14.231 -3.713 -3.022 1.00 0.00 C ATOM 1134 CG ASP A 76 -12.886 -3.876 -3.685 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -12.704 -4.879 -4.420 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -12.022 -3.004 -3.492 1.00 0.00 O ATOM 0 H ASP A 76 -16.180 -3.819 -1.191 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.335 -5.770 -2.420 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -15.017 -3.760 -3.776 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -14.292 -2.728 -2.559 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.415 -5.499 -0.909 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.328 -5.573 0.080 1.00 0.00 C ATOM 1143 C GLU A 77 -10.108 -4.823 -0.449 1.00 0.00 C ATOM 1144 O GLU A 77 -9.827 -4.879 -1.647 1.00 0.00 O ATOM 1145 CB GLU A 77 -10.958 -7.046 0.280 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.801 -7.304 1.237 1.00 0.00 C ATOM 1147 CD GLU A 77 -9.355 -8.751 1.180 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -8.496 -9.075 0.329 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -9.879 -9.580 1.956 1.00 0.00 O ATOM 0 H GLU A 77 -12.301 -6.158 -1.679 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.648 -5.128 1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.836 -7.577 0.647 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.708 -7.475 -0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.964 -6.653 0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.104 -7.054 2.254 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.366 -4.159 0.425 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.193 -3.399 -0.012 1.00 0.00 C ATOM 1158 C TYR A 78 -6.911 -3.969 0.595 1.00 0.00 C ATOM 1159 O TYR A 78 -6.831 -4.195 1.803 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.344 -1.913 0.342 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.398 -1.190 -0.467 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -10.754 -1.391 -0.224 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -9.038 -0.304 -1.474 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -11.716 -0.731 -0.963 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -9.997 0.360 -2.215 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.332 0.142 -1.958 1.00 0.00 C ATOM 1167 OH TYR A 78 -12.287 0.804 -2.697 1.00 0.00 O ATOM 0 H TYR A 78 -9.547 -4.127 1.428 1.00 0.00 H new ATOM 0 HA TYR A 78 -8.122 -3.488 -1.096 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.590 -1.826 1.400 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.385 -1.416 0.196 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.059 -2.074 0.555 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.992 -0.131 -1.681 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.764 -0.898 -0.762 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.700 1.048 -2.993 1.00 0.00 H new ATOM 0 HH TYR A 78 -13.051 1.023 -2.123 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.909 -4.207 -0.252 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.662 -4.833 0.176 1.00 0.00 C ATOM 1179 C ALA A 79 -3.447 -4.107 -0.406 1.00 0.00 C ATOM 1180 O ALA A 79 -3.578 -3.344 -1.358 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.652 -6.289 -0.266 1.00 0.00 C ATOM 0 H ALA A 79 -5.940 -3.973 -1.244 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.601 -4.773 1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.722 -6.759 0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.496 -6.812 0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.731 -6.340 -1.352 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.267 -4.326 0.175 1.00 0.00 N ATOM 1188 CA CYS A 80 -1.032 -3.817 -0.413 1.00 0.00 C ATOM 1189 C CYS A 80 -0.015 -4.949 -0.583 1.00 0.00 C ATOM 1190 O CYS A 80 0.198 -5.742 0.334 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.438 -2.691 0.429 1.00 0.00 C ATOM 1192 SG CYS A 80 1.188 -2.115 -0.159 1.00 0.00 S ATOM 0 H CYS A 80 -2.142 -4.847 1.043 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.273 -3.409 -1.395 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.131 -1.850 0.435 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.342 -3.032 1.460 1.00 0.00 H new ATOM 1197 N ARG A 81 0.570 -5.035 -1.772 1.00 0.00 N ATOM 1198 CA ARG A 81 1.516 -6.097 -2.121 1.00 0.00 C ATOM 1199 C ARG A 81 2.946 -5.554 -2.138 1.00 0.00 C ATOM 1200 O ARG A 81 3.201 -4.531 -2.765 1.00 0.00 O ATOM 1201 CB ARG A 81 1.168 -6.611 -3.517 1.00 0.00 C ATOM 1202 CG ARG A 81 1.733 -7.985 -3.883 1.00 0.00 C ATOM 1203 CD ARG A 81 1.116 -8.479 -5.194 1.00 0.00 C ATOM 1204 NE ARG A 81 1.377 -7.520 -6.273 1.00 0.00 N ATOM 1205 CZ ARG A 81 1.361 -7.810 -7.571 1.00 0.00 C ATOM 1206 NH1 ARG A 81 1.023 -9.023 -7.992 1.00 0.00 N ATOM 1207 NH2 ARG A 81 1.686 -6.875 -8.456 1.00 0.00 N ATOM 0 H ARG A 81 0.403 -4.369 -2.527 1.00 0.00 H new ATOM 0 HA ARG A 81 1.450 -6.896 -1.383 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.083 -6.650 -3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.524 -5.886 -4.249 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.817 -7.926 -3.982 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.525 -8.696 -3.084 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.531 -9.452 -5.455 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.041 -8.614 -5.070 1.00 0.00 H new ATOM 0 HE ARG A 81 1.587 -6.558 -6.008 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.772 -9.745 -7.317 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.015 -9.232 -8.990 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.946 -5.941 -8.139 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.676 -7.091 -9.453 1.00 0.00 H new ATOM 1221 N VAL A 82 3.877 -6.224 -1.462 1.00 0.00 N ATOM 1222 CA VAL A 82 5.276 -5.786 -1.501 1.00 0.00 C ATOM 1223 C VAL A 82 6.233 -6.952 -1.735 1.00 0.00 C ATOM 1224 O VAL A 82 6.077 -8.036 -1.164 1.00 0.00 O ATOM 1225 CB VAL A 82 5.698 -5.010 -0.225 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.097 -5.949 0.901 1.00 0.00 C ATOM 1227 CG2 VAL A 82 6.827 -4.043 -0.538 1.00 0.00 C ATOM 0 H VAL A 82 3.699 -7.052 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 82 5.343 -5.102 -2.347 1.00 0.00 H new ATOM 0 HB VAL A 82 4.832 -4.442 0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.385 -5.366 1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.254 -6.592 1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.938 -6.564 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.110 -3.508 0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.687 -4.597 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.496 -3.329 -1.292 1.00 0.00 H new ATOM 1237 N ASN A 83 7.198 -6.718 -2.614 1.00 0.00 N ATOM 1238 CA ASN A 83 8.230 -7.704 -2.906 1.00 0.00 C ATOM 1239 C ASN A 83 9.614 -7.088 -2.863 1.00 0.00 C ATOM 1240 O ASN A 83 9.814 -5.927 -3.229 1.00 0.00 O ATOM 1241 CB ASN A 83 7.985 -8.351 -4.272 1.00 0.00 C ATOM 1242 CG ASN A 83 8.870 -9.564 -4.507 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.273 -10.247 -3.562 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.165 -9.848 -5.766 1.00 0.00 N ATOM 0 H ASN A 83 7.288 -5.849 -3.140 1.00 0.00 H new ATOM 0 HA ASN A 83 8.178 -8.472 -2.135 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.939 -8.648 -4.348 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.165 -7.616 -5.056 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.746 -10.658 -5.984 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.811 -9.257 -6.518 1.00 0.00 H new ATOM 1251 N HIS A 84 10.555 -7.883 -2.384 1.00 0.00 N ATOM 1252 CA HIS A 84 11.955 -7.515 -2.347 1.00 0.00 C ATOM 1253 C HIS A 84 12.771 -8.707 -2.834 1.00 0.00 C ATOM 1254 O HIS A 84 12.260 -9.828 -2.839 1.00 0.00 O ATOM 1255 CB HIS A 84 12.368 -7.125 -0.919 1.00 0.00 C ATOM 1256 CG HIS A 84 13.732 -6.508 -0.807 1.00 0.00 C ATOM 1257 ND1 HIS A 84 14.872 -7.276 -0.778 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.077 -5.205 -0.705 1.00 0.00 C ATOM 1259 CE1 HIS A 84 15.879 -6.429 -0.655 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.445 -5.160 -0.607 1.00 0.00 N ATOM 0 H HIS A 84 10.364 -8.811 -2.007 1.00 0.00 H new ATOM 0 HA HIS A 84 12.134 -6.654 -2.990 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.634 -6.425 -0.521 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.334 -8.014 -0.290 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.404 -4.360 -0.701 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.917 -6.721 -0.600 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.021 -4.323 -0.515 1.00 0.00 H new ATOM 1268 N VAL A 85 14.007 -8.471 -3.254 1.00 0.00 N ATOM 1269 CA VAL A 85 14.884 -9.550 -3.734 1.00 0.00 C ATOM 1270 C VAL A 85 14.873 -10.756 -2.784 1.00 0.00 C ATOM 1271 O VAL A 85 14.860 -11.908 -3.226 1.00 0.00 O ATOM 1272 CB VAL A 85 16.345 -9.062 -3.909 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.239 -10.178 -4.440 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.400 -7.853 -4.831 1.00 0.00 C ATOM 0 H VAL A 85 14.432 -7.544 -3.275 1.00 0.00 H new ATOM 0 HA VAL A 85 14.489 -9.856 -4.703 1.00 0.00 H new ATOM 0 HB VAL A 85 16.718 -8.768 -2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.257 -9.806 -4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.233 -11.013 -3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.866 -10.513 -5.408 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.434 -7.526 -4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 85 15.999 -8.122 -5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.807 -7.044 -4.406 1.00 0.00 H new ATOM 1284 N THR A 86 14.823 -10.485 -1.485 1.00 0.00 N ATOM 1285 CA THR A 86 14.929 -11.547 -0.482 1.00 0.00 C ATOM 1286 C THR A 86 13.680 -12.441 -0.439 1.00 0.00 C ATOM 1287 O THR A 86 13.788 -13.653 -0.626 1.00 0.00 O ATOM 1288 CB THR A 86 15.227 -10.986 0.936 1.00 0.00 C ATOM 1289 OG1 THR A 86 15.110 -12.027 1.911 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.293 -9.833 1.297 1.00 0.00 C ATOM 0 H THR A 86 14.711 -9.547 -1.100 1.00 0.00 H new ATOM 0 HA THR A 86 15.774 -12.161 -0.794 1.00 0.00 H new ATOM 0 HB THR A 86 16.247 -10.602 0.930 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.301 -11.664 2.801 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.534 -9.469 2.296 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.417 -9.025 0.576 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.260 -10.181 1.277 1.00 0.00 H new ATOM 1298 N LEU A 87 12.507 -11.846 -0.182 1.00 0.00 N ATOM 1299 CA LEU A 87 11.268 -12.613 0.009 1.00 0.00 C ATOM 1300 C LEU A 87 11.044 -13.673 -1.066 1.00 0.00 C ATOM 1301 O LEU A 87 10.701 -14.812 -0.747 1.00 0.00 O ATOM 1302 CB LEU A 87 10.054 -11.689 0.039 1.00 0.00 C ATOM 1303 CG LEU A 87 10.131 -10.531 1.029 1.00 0.00 C ATOM 1304 CD1 LEU A 87 8.928 -9.626 0.865 1.00 0.00 C ATOM 1305 CD2 LEU A 87 10.228 -11.045 2.459 1.00 0.00 C ATOM 0 H LEU A 87 12.390 -10.836 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 87 11.385 -13.122 0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.907 -11.280 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.172 -12.285 0.273 1.00 0.00 H new ATOM 0 HG LEU A 87 11.032 -9.955 0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.993 -8.803 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.907 -9.228 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.017 -10.195 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.282 -10.201 3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.348 -11.646 2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.124 -11.657 2.566 1.00 0.00 H new ATOM 1317 N SER A 88 11.211 -13.275 -2.331 1.00 0.00 N ATOM 1318 CA SER A 88 10.956 -14.141 -3.489 1.00 0.00 C ATOM 1319 C SER A 88 9.450 -14.325 -3.703 1.00 0.00 C ATOM 1320 O SER A 88 8.989 -14.521 -4.829 1.00 0.00 O ATOM 1321 CB SER A 88 11.662 -15.499 -3.336 1.00 0.00 C ATOM 1322 OG SER A 88 11.621 -16.248 -4.541 1.00 0.00 O ATOM 0 H SER A 88 11.528 -12.339 -2.583 1.00 0.00 H new ATOM 0 HA SER A 88 11.369 -13.654 -4.372 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.699 -15.339 -3.041 1.00 0.00 H new ATOM 0 HB3 SER A 88 11.188 -16.068 -2.537 1.00 0.00 H new ATOM 0 HG SER A 88 12.079 -17.104 -4.410 1.00 0.00 H new ATOM 1328 N GLN A 89 8.694 -14.243 -2.617 1.00 0.00 N ATOM 1329 CA GLN A 89 7.243 -14.289 -2.682 1.00 0.00 C ATOM 1330 C GLN A 89 6.662 -13.071 -1.948 1.00 0.00 C ATOM 1331 O GLN A 89 6.821 -12.943 -0.731 1.00 0.00 O ATOM 1332 CB GLN A 89 6.686 -15.609 -2.093 1.00 0.00 C ATOM 1333 CG GLN A 89 7.009 -15.865 -0.617 1.00 0.00 C ATOM 1334 CD GLN A 89 6.287 -17.075 -0.056 1.00 0.00 C ATOM 1335 OE1 GLN A 89 6.786 -17.737 0.852 1.00 0.00 O ATOM 1336 NE2 GLN A 89 5.105 -17.371 -0.577 1.00 0.00 N ATOM 0 H GLN A 89 9.067 -14.143 -1.673 1.00 0.00 H new ATOM 0 HA GLN A 89 6.941 -14.257 -3.729 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.603 -15.611 -2.215 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.075 -16.441 -2.681 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.084 -16.005 -0.505 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.740 -14.985 -0.033 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.722 -16.799 -1.330 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.578 -18.171 -0.225 1.00 0.00 H new ATOM 1345 N PRO A 90 6.029 -12.122 -2.674 1.00 0.00 N ATOM 1346 CA PRO A 90 5.455 -10.921 -2.049 1.00 0.00 C ATOM 1347 C PRO A 90 4.278 -11.226 -1.139 1.00 0.00 C ATOM 1348 O PRO A 90 3.619 -12.262 -1.265 1.00 0.00 O ATOM 1349 CB PRO A 90 4.989 -10.057 -3.217 1.00 0.00 C ATOM 1350 CG PRO A 90 4.879 -10.981 -4.388 1.00 0.00 C ATOM 1351 CD PRO A 90 5.852 -12.128 -4.141 1.00 0.00 C ATOM 0 HA PRO A 90 6.196 -10.436 -1.414 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.030 -9.587 -2.998 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.699 -9.254 -3.417 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.860 -11.354 -4.491 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.123 -10.461 -5.314 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.450 -13.078 -4.493 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.798 -11.971 -4.660 1.00 0.00 H new ATOM 1359 N LYS A 91 4.014 -10.304 -0.229 1.00 0.00 N ATOM 1360 CA LYS A 91 2.919 -10.463 0.711 1.00 0.00 C ATOM 1361 C LYS A 91 1.779 -9.518 0.364 1.00 0.00 C ATOM 1362 O LYS A 91 1.991 -8.443 -0.196 1.00 0.00 O ATOM 1363 CB LYS A 91 3.351 -10.164 2.160 1.00 0.00 C ATOM 1364 CG LYS A 91 4.577 -10.931 2.687 1.00 0.00 C ATOM 1365 CD LYS A 91 5.084 -10.356 4.015 1.00 0.00 C ATOM 1366 CE LYS A 91 6.030 -11.313 4.729 1.00 0.00 C ATOM 1367 NZ LYS A 91 7.387 -11.301 4.131 1.00 0.00 N ATOM 0 H LYS A 91 4.543 -9.438 -0.122 1.00 0.00 H new ATOM 0 HA LYS A 91 2.599 -11.502 0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.557 -9.097 2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.508 -10.377 2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.318 -11.981 2.822 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.376 -10.892 1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.596 -9.412 3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.235 -10.136 4.662 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.095 -11.040 5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.624 -12.324 4.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.834 -12.230 4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.316 -11.096 3.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.963 -10.569 4.593 1.00 0.00 H new ATOM 1381 N ILE A 92 0.580 -9.949 0.701 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.581 -9.080 0.660 1.00 0.00 C ATOM 1383 C ILE A 92 -1.005 -8.723 2.077 1.00 0.00 C ATOM 1384 O ILE A 92 -1.117 -9.591 2.947 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.778 -9.679 -0.143 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.830 -9.092 -1.555 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -3.103 -9.424 0.547 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.519 -7.622 -1.598 1.00 0.00 C ATOM 0 H ILE A 92 0.383 -10.901 1.008 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.285 -8.178 0.124 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.615 -10.755 -0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.122 -9.625 -2.189 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.822 -9.259 -1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.910 -9.857 -0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.092 -9.882 1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.261 -8.350 0.646 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.573 -7.269 -2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.242 -7.079 -0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.516 -7.451 -1.208 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.205 -7.440 2.309 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.712 -6.958 3.577 1.00 0.00 C ATOM 1402 C VAL A 93 -3.069 -6.320 3.348 1.00 0.00 C ATOM 1403 O VAL A 93 -3.194 -5.389 2.558 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.756 -5.933 4.228 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.499 -4.743 3.321 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.298 -5.467 5.569 1.00 0.00 C ATOM 0 H VAL A 93 -1.021 -6.705 1.626 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.795 -7.804 4.259 1.00 0.00 H new ATOM 0 HB VAL A 93 0.196 -6.438 4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.178 -4.047 3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.048 -5.086 2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.442 -4.240 3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.609 -4.746 6.009 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.271 -4.998 5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.403 -6.323 6.236 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.086 -6.821 4.010 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.426 -6.333 3.763 1.00 0.00 C ATOM 1418 C LYS A 94 -5.891 -5.474 4.926 1.00 0.00 C ATOM 1419 O LYS A 94 -5.563 -5.742 6.085 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.386 -7.493 3.520 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.851 -8.501 2.529 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.481 -9.869 2.748 1.00 0.00 C ATOM 1423 CE LYS A 94 -6.107 -10.470 4.097 1.00 0.00 C ATOM 1424 NZ LYS A 94 -6.594 -11.870 4.236 1.00 0.00 N ATOM 0 H LYS A 94 -4.016 -7.556 4.714 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.415 -5.717 2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.589 -7.994 4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.336 -7.102 3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.055 -8.161 1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.768 -8.575 2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.565 -9.782 2.680 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.165 -10.543 1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.024 -10.449 4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.527 -9.859 4.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.319 -12.242 5.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.630 -11.887 4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.173 -12.460 3.490 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.645 -4.443 4.604 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.075 -3.464 5.593 1.00 0.00 C ATOM 1440 C TRP A 95 -8.289 -3.991 6.359 1.00 0.00 C ATOM 1441 O TRP A 95 -9.301 -4.365 5.776 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.359 -2.114 4.905 1.00 0.00 C ATOM 1443 CG TRP A 95 -7.822 -1.000 5.811 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.259 -0.580 6.992 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -8.937 -0.124 5.572 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -7.973 0.465 7.510 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.008 0.766 6.664 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -9.893 -0.010 4.545 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -9.987 1.746 6.766 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -10.861 0.970 4.644 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -10.909 1.835 5.747 1.00 0.00 C ATOM 0 H TRP A 95 -6.977 -4.257 3.658 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.280 -3.300 6.320 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.452 -1.789 4.396 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.117 -2.271 4.137 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.380 -1.013 7.446 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.768 0.944 8.387 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -9.870 -0.676 3.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.024 2.414 7.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.594 1.072 3.858 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -11.684 2.585 5.798 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.154 -4.036 7.674 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.162 -4.636 8.546 1.00 0.00 C ATOM 1464 C ASP A 96 -10.448 -3.814 8.564 1.00 0.00 C ATOM 1465 O ASP A 96 -10.561 -2.851 9.327 1.00 0.00 O ATOM 1466 CB ASP A 96 -8.610 -4.762 9.969 1.00 0.00 C ATOM 1467 CG ASP A 96 -7.356 -5.613 10.042 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -6.242 -5.060 9.893 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -7.472 -6.836 10.247 1.00 0.00 O ATOM 0 H ASP A 96 -7.346 -3.660 8.171 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.399 -5.625 8.153 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.391 -3.768 10.358 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.375 -5.195 10.613 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.425 -4.227 7.750 1.00 0.00 N ATOM 1475 CA ARG A 97 -12.720 -3.551 7.672 1.00 0.00 C ATOM 1476 C ARG A 97 -13.579 -4.207 6.590 1.00 0.00 C ATOM 1477 O ARG A 97 -14.801 -4.052 6.573 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.530 -2.037 7.395 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.397 -1.669 5.913 1.00 0.00 C ATOM 1480 CD ARG A 97 -13.749 -1.551 5.197 1.00 0.00 C ATOM 1481 NE ARG A 97 -13.592 -1.564 3.752 1.00 0.00 N ATOM 1482 CZ ARG A 97 -14.610 -1.553 2.900 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -15.851 -1.363 3.338 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -14.385 -1.728 1.609 1.00 0.00 N ATOM 0 H ARG A 97 -11.340 -5.034 7.132 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.233 -3.649 8.629 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.377 -1.495 7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -11.640 -1.694 7.922 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -11.863 -0.723 5.827 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.791 -2.423 5.411 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -14.395 -2.374 5.501 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.243 -0.629 5.502 1.00 0.00 H new ATOM 0 HE ARG A 97 -12.646 -1.583 3.371 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -16.025 -1.225 4.333 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -16.629 -1.356 2.678 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -13.433 -1.871 1.272 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.164 -1.720 0.950 1.00 0.00 H new ATOM 1498 N ASP A 98 -12.936 -4.978 5.721 1.00 0.00 N ATOM 1499 CA ASP A 98 -13.585 -5.499 4.524 1.00 0.00 C ATOM 1500 C ASP A 98 -13.255 -6.967 4.323 1.00 0.00 C ATOM 1501 O ASP A 98 -14.024 -7.705 3.702 1.00 0.00 O ATOM 1502 CB ASP A 98 -13.174 -4.703 3.285 1.00 0.00 C ATOM 1503 CG ASP A 98 -11.712 -4.288 3.277 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -10.839 -5.171 3.381 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -11.439 -3.072 3.149 1.00 0.00 O ATOM 0 H ASP A 98 -11.960 -5.257 5.824 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.661 -5.396 4.665 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.377 -5.302 2.397 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.795 -3.810 3.216 1.00 0.00 H new ATOM 1510 N MET A 99 -12.096 -7.380 4.821 1.00 0.00 N ATOM 1511 CA MET A 99 -11.727 -8.796 4.831 1.00 0.00 C ATOM 1512 C MET A 99 -12.779 -9.641 5.559 1.00 0.00 C ATOM 1513 CB MET A 99 -10.319 -9.016 5.440 1.00 0.00 C ATOM 1514 CG MET A 99 -10.066 -8.349 6.804 1.00 0.00 C ATOM 1515 SD MET A 99 -11.251 -8.803 8.086 1.00 0.00 S ATOM 1516 CE MET A 99 -10.589 -7.920 9.496 1.00 0.00 C ATOM 0 H MET A 99 -11.394 -6.758 5.223 1.00 0.00 H new ATOM 0 HA MET A 99 -11.691 -9.127 3.793 1.00 0.00 H new ATOM 0 HB2 MET A 99 -10.153 -10.088 5.545 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.576 -8.646 4.733 1.00 0.00 H new ATOM 0 HG2 MET A 99 -9.064 -8.612 7.143 1.00 0.00 H new ATOM 0 HG3 MET A 99 -10.085 -7.267 6.675 1.00 0.00 H new ATOM 0 HE1 MET A 99 -11.002 -8.338 10.414 1.00 0.00 H new ATOM 0 HE2 MET A 99 -9.503 -8.017 9.509 1.00 0.00 H new ATOM 0 HE3 MET A 99 -10.858 -6.866 9.424 1.00 0.00 H new